SCHEMBL941201

SCHEMBL941201

CC(C)CCOc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
MAPK1 P28482 1/20 0.58
EPHX2 P34913 1/20 0.54
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
MAOB P27338 1/20 0.46
MMP3 P08254 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17286565 0.90 TDP1 (0.53) TDP1MAPK1EPHX2KDM4EALDH1A1
1,4-Diisopentoxybenzene SCHEMBL2846102 0.89 TDP1 (0.79) TDP1MAPK1EPHX2ALDH1A1MAPT
SCHEMBL6852447 0.86 TDP1 (0.50) TDP1MAPK1EPHX2KDM4EALDH1A1
SCHEMBL7334158 0.85 RARB (0.56) TDP1MAPK1EPHX2KDM4EALDH1A1
SCHEMBL22604524 0.84 MAPT (0.49) TDP1MAPK1EPHX2KDM4EALDH1A1
SCHEMBL4090434 0.83 TDP1 (0.51) TDP1MAPK1EPHX2KDM4EMAPT
SCHEMBL10873633 0.83 TDP1 (0.66) TDP1MAPK1EPHX2ALDH1A1MAPT
SCHEMBL4826829 0.82 RARB (0.50) TDP1MAPK1EPHX2KDM4EALDH1A1
SCHEMBL20840100 0.81 KDM4E (0.47) TDP1MAPK1EPHX2KDM4EALDH1A1
1-Isopentyloxy-4-Methoxybenzene SCHEMBL2848524 0.81 TDP1 (0.68) TDP1MAPK1EPHX2MAPTDRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
CN-109776290-B Fluorescent material for detecting mustard gas simulant based on sulfur-pi interaction as well as preparation method and application of fluorescent material 中国科学院化学研究所 2021-03-16 CN disclosed
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-7943800-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-05-17 US disclosed
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2011-01-20 US disclosed
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2011-01-20 US disclosed
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2011-01-20 US disclosed
EP-2268612-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS Novartis AG (CH) 2011-01-05 EP disclosed
WO-2009118292-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2009-10-01 WO disclosed
WO-2009118292-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2009-10-01 WO disclosed
US-20090124662-A1 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2009-05-14 US disclosed
US-20070037852-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 US disclosed
US-20070037783-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070037783-A1 Migrastatin analogs and uses thereof FOXM1, MTX1, C3AR1 TDP1 4517/4885MAPK1 3016/4885EPHX2 3505/4885
US-20090124662-A1 Migrastatin analogs in the treatment of cancer MTX1, MTNR1B, MTNR1A TDP1 4703/4885MAPK1 2574/4885EPHX2 4094/4885
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS MMP11, MMP10, MMP9 TDP1 2046/4885MAPK1 1002/4885EPHX2 1504/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC TDP1 1709/4885MAPK1 396/4885EPHX2 4758/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC TDP1 1709/4885MAPK1 396/4885EPHX2 4758/4885
US-20070037852-A1 Migrastatin analogs and uses thereof KDR, MTX1, FOXM1 TDP1 4307/4885MAPK1 2739/4885EPHX2 3071/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.